ChemSpider 2D Image | 1,1',1''-[(4,4-Dichloro-2-nitro-1,3-butadiene-1,1,3-triyl)tris(sulfanediylmethylene)]tribenzene | C25H21Cl2NO2S3

1,1',1''-[(4,4-Dichloro-2-nitro-1,3-butadiene-1,1,3-triyl)tris(sulfanediylmethylene)]tribenzene

  • Molecular FormulaC25H21Cl2NO2S3
  • Average mass534.541 Da
  • Monoisotopic mass533.011169 Da
  • ChemSpider ID24741470

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,1',1''-[(4,4-Dichlor-2-nitro-1,3-butadien-1,1,3-triyl)tris(sulfandiylmethylen)]tribenzol [German] [ACD/IUPAC Name]
1,1',1''-[(4,4-Dichloro-2-nitro-1,3-butadiene-1,1,3-triyl)tris(sulfanediylmethylene)]tribenzene [ACD/IUPAC Name]
1,1',1''-[(4,4-Dichloro-2-nitro-1,3-butadiène-1,1,3-triyl)tris(sulfanediylméthylène)]tribenzène [French] [ACD/IUPAC Name]
Benzene, 1,1',1''-[[3-(dichloromethylene)-2-nitro-1-propen-3-yl-1-ylidene]tris(thiomethylene)]tris- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 512.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 263.8±30.1 °C
Index of Refraction: 1.678
Molar Refractivity: 147.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.67
ACD/LogD (pH 5.5): 8.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 796172.50
ACD/LogD (pH 7.4): 8.32
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 796172.50
Polar Surface Area: 122 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 390.1±3.0 cm3

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